%chk=000108921.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108921 0 1 O -9.9999997E-05 2.040100 -1.1000000E-03 O 9.9999997E-05 -3.303500 -1.4000000E-03 N -2.573400 2.176600 5.0000002E-04 N 2.573300 2.176600 -1.9999999E-04 C -1.273000 6.6900000E-02 6.9999998E-04 C 1.273000 6.7000002E-02 1.9999999E-04 C -1.273000 -1.329700 3.9999999E-04 C 1.273100 -1.329500 -9.9999997E-05 C 0.000000 0.8161000 3.9999999E-04 C 9.9999997E-05 -2.078700 1.9999999E-04 C -2.486600 0.7652000 8.9999998E-04 C 2.486400 0.7652000 0.000000 C -2.486500 -2.028000 3.0000001E-04 C 2.486600 -2.027700 -1.9999999E-04 C -3.693600 6.5399997E-02 5.0000002E-04 C 3.693500 6.5399997E-02 -1.9999999E-04 C -3.693500 -1.328300 3.0000001E-04 C 3.693600 -1.328100 -3.0000001E-04 C -3.819500 2.874400 -2.0000001E-03 C 3.819400 2.874500 1.0000000E-03 H -2.513400 -3.114300 9.9999997E-05 H 2.513600 -3.114100 -1.9999999E-04 H -4.664400 0.5509000 5.0000002E-04 H 4.664300 0.5512000 -3.9999999E-04 H -4.634100 -1.871600 1.9999999E-04 H 4.634300 -1.871400 -5.0000002E-04 H -1.716500 2.714600 6.0000003E-04 H 1.716300 2.714600 3.0000001E-04 H -4.410800 2.658800 0.8944000 H -4.408200 2.657200 -0.8995000 H -3.629300 3.953000 -2.7000001E-03 H 4.410100 2.658500 -0.8955000 H 4.408700 2.657800 0.8983000 H 3.629000 3.953200 1.3000000E-03 %chk=000108921-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108921 0 1 O -0.000186 2.139862 -0.002881 O 0.000098 -3.390041 0.000478 N -2.586868 2.167456 -0.000555 N 2.586785 2.167628 0.000027 C -1.272723 0.089185 -0.001224 C 1.272663 0.089296 -0.000956 C -1.280318 -1.343459 -0.000979 C 1.280351 -1.343354 -0.000693 C -0.000070 0.821984 -0.002051 C 0.000047 -2.114793 -0.001928 C -2.545639 0.792442 -0.000663 C 2.545559 0.792617 -0.000080 C -2.487476 -2.070747 -0.000224 C 2.487549 -2.070575 0.000378 C -3.756674 0.022086 -0.000003 C 3.756630 0.022320 0.000910 C -3.721376 -1.379167 0.000218 C 3.721411 -1.378933 0.001132 C -3.816554 2.954457 -0.000452 C 3.816478 2.954620 0.000559 H -2.435521 -3.162883 -0.000136 H 2.435654 -3.162714 0.000462 H -4.720378 0.539403 0.000454 H 4.720307 0.539687 0.001642 H -4.662007 -1.940844 0.000763 H 4.662072 -1.940558 0.001942 H -1.648049 2.612675 -0.000443 H 1.647960 2.612843 0.000218 H -4.438070 2.757278 0.896219 H -4.438090 2.757560 -0.897175 H -3.551178 4.023825 -0.000284 H 4.438278 2.757787 -0.895992 H 4.437727 2.757370 0.897400 H 3.551108 4.023990 0.000716